134462 1 2 3 4 5 6 7 8 9 10 8 8 6 6 1 1 1 1 1 1 3 14 4 14 1 1 2 2 3 3 3 4 4 3 9 4 10 4 5 6 7 8 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 2.5369 5.135 3.403 4.269 3.093 3.713 4.579 3.959 2 5.672 -0.75 0.75 -0.25 0.25 0.2869 -0.7869 -0.2869 0.7869 -0.44 0.44 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 2 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 0000037180403000000000000000000000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 ethane-1,2-diol InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1+2,2+2 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 LYCAIKOWRPUZTN-XPULMUKRSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 -1.4 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 66.043263 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C2H6O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 66.052924 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 C(CO)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 [14CH2]([14CH2]O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 66.043263 4 0 0 0 0 0 0 2 1 1